HRID154020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID561372

3-(4-benzyloxyphenyl)propionic acid

C16H16O3

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：Nc1nc(N)c(C(=O)N=C2NCC3(CC4CCC(C3)N4)N2)nc1Cl

HCID178508757

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(N)c(C(=O)N=C2NCC3(CC4CCC(C3)N4C(=O)CCc3ccc(OCc4ccccc4)cc3)N2)nc1Cl

HCID178508755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12e2c305d8f34addb7146584fea02cf4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[O:56][c:57]1[cH:58][cH:59][c:60]([CH2:63][CH2:64][C:65](=[O:66])[OH:67])[cH:61][cH:62]1.[CH3:68][N:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]1.[NH2:1][c:2]1[c:3]([C:10](=[O:11])[N:12]=[C:13]2[NH:14][CH2:15][C:16]3([CH2:17][CH:18]4[CH2:19][CH2:20][CH:21]([CH2:22]3)[NH:23]4)[NH:24]2)[n:4][c:5]([Cl:9])[c:6]([NH2:8])[n:7]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[NH2:1][c:2]1[c:3]([C:10](=[O:11])[N:12]=[C:13]2[NH:14][CH2:15][C:16]3([CH2:17][CH:18]4[CH2:19][CH2:20][CH:21]([CH2:22]3)[N:23]4[C:65]([CH2:64][CH2:63][c:60]3[cH:59][cH:58][c:57]([O:56][CH2:49][c:50]4[cH:51][cH:52][cH:53][cH:54][cH:55]4)[cH:62][cH:61]3)=[O:66])[NH:24]2)[n:4][c:5]([Cl:9])[c:6]([NH2:8])[n:7]1